Cr2Rh9W
Alexandria ALEXAlex-ID: agm044345953 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_356_spg160
Cr4Rh15W Rh3W
2024-10-03 17:02:35.215803
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044345953).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm044345953
data_agm044345953
_cell_length_a 7.27895
_cell_length_b 7.27895
_cell_length_c 7.27895
_cell_angle_alpha 43.83101
_cell_angle_beta 43.83101
_cell_angle_gamma 43.83101
_cell_volume 167.93901
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr1 Cr 0.78119 0.78119 0.78119 1.00000
Cr2 Cr 0.00059 0.00059 0.00059 1.00000
Rh1 Rh 0.27735 0.27735 0.77710 1.00000
Rh2 Rh 0.27735 0.77710 0.27735 1.00000
Rh3 Rh 0.77710 0.27735 0.27735 1.00000
Rh4 Rh 0.72391 0.72391 0.21916 1.00000
Rh5 Rh 0.72391 0.21916 0.72391 1.00000
Rh6 Rh 0.21916 0.72391 0.72391 1.00000
Rh7 Rh 0.50000 0.99910 0.50000 1.00000
Rh8 Rh 0.99910 0.50000 0.50000 1.00000
Rh9 Rh 0.50000 0.50000 0.99910 1.00000
W1 W 0.22034 0.22034 0.22034 1.00000
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